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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fluorine-Free Superhydrophobic Coatings: Rapid Fabrication and Highly Efficient Oil/Water Separation

In this work, a rapid method is demonstrated to obtain a fluorine-free superhydrophobic/superoleophilic coating by a simple two-step method: dip-coating and oven curing. The chemical structure of the coating is based on the crosslinking reaction of an alkyl methacrylate, a dimethacrylate (crosslinker) and a silane (adhesive), using AIBN as initiator, toluene as solvent, and silica nanoparticles to enhance surface roughness. Chemorheology results show that the coating is fully cured even in 20 min at 100 °C, exhibiting a water contact angle (CA) of 162 ± 2°, sliding angle (SA) of 4 ± 1°, nanometrical structures throughout the surface, and excellent adhesion properties for the mesh screen. The coating exhibits outstanding oil/water separation efficiency (96–99%) for seven different types of oil (gasoline, diesel, petroleum ether, hexane, toluene, chloroform, and dichloromethane), and in addition presents high recyclability. Based on nonisothermal TGA, the activation energy of degradation, calculated using the Kissinger and Ozawa models, is 113.5 and 114 kJ mol -1 , respectively. Finally, the coating is thermally aged at 150 °C: the CA exhibits a smooth decrease up to 129 ± 1° at 120 min, and FTIR analysis shows structural changes possibly related to the generation of thermal oxidation products.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Abstract Interconnect materials play the critical role of routing energy and information in integrated circuits. However, established bulk conductors, such as copper, perform poorly when scaled down beyond 10 nm, limiting the scalability of logic devices. Here, a multi‐objective search is developed, combined with first‐principles calculations, to rapidly screen over 15,000 materials and discover new interconnect candidates. This approach simultaneously optimizes the bulk electronic conductivity, surface scattering time, and chemical stability using physically motivated surrogate properties accessible from materials databases. Promising local interconnects are identified that have the potential to outperform ruthenium, the current state‐of‐the‐art post‐Cu material, and also semi‐global interconnects with potentially large skin depths at the GHz operation frequency. The approach is validated on one of the identified candidates, CoPt, using both ab initio and experimental transport studies, showcasing its potential to supplant Ru and Cu for future local interconnects.

Chemistry↗
DOE OSTI2025

Open‐Air Combustion Synthesis with Rapid Plasma Processing of Large‐Area Transparent Conducting Oxides

A vacuum-free, high-throughput synthesis of indium tin oxide (ITO) via Combustion Oxidation with Rapid Plasma Processing (CORP) utilizes a solution-based exothermic combustion reaction to generate the oxide with tunable control of either amorphous or crystalline phases. A subsequent open-air, forming gas plasma treatment is used to introduce oxygen vacancies and promote crystallization. Here, the evolution of the oxide structure is elucidated by extended X-ray absorption spectroscopy fine structure analysis. Using CORP, fabrication of 300 cm 2 of ITO possessing a champion sheet resistance of 38 Ω sq. −1 , visible transmission of 89%, conductivity stability for over 250 days, roughness < 2nm, and Haacke figure of merit (%T 550nm 10 /R s ) of 0.012 Ω −1 is achieved. Cost modeling of CORP demonstrates up to a 67% reduction in price for TCOs using fully continuous, in-line unit operations compared with vacuum sputtering. The work shows a path toward a low-cost, vacuum-free manufacturing method for TCOs at commercial scales.

42 ENGINEERING↗
DOE OSTI2023

Degradation Science from Nanometers to Kilometers: A Pathway to Rapid Detection for Reliable Photovoltaics

Photovoltaics reliability for terrestrial applications has more than four decades of history and experience. International standards development has prevented many early life failures and must be continued in the future. Yet, as the module product development cycle is measured in mere months, additional investment in the fundamental degradation science and rapid detection should be developed. In this article, a brief strategy is provided addressing indoor accelerated, outdoor testing, and modeling efforts required to retain high reliability in the following decade.

14 SOLAR ENERGY↗
DOE OSTI2022

Single-Cell Metabolomics with Rapid Determination of Chemical Formulas from Isotopic Fine Structures

Metabolomic measurements can provide functional readouts of cellular states and phenotypes. Here, we present a protocol for single-cell metabolomics that permits direct untargeted detection of a broad number of metabolites under ambient conditions, without the need for sample processing, and with high confidence in the discovery and identification of the molecular formulas for detected metabolites. This protocol describes combining fiber-based laser ablation electrospray ionization (f-LAESI) with a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer (21T-FTICR-MS) to obtain high confidence molecular formula information about detected metabolites. The f-LAESI source utilizes mid-infrared laser ablation through a sharp optical fiber tip, affording direct ambient analysis of cells without the need for sample processing. Using the 21T-FTICR-MS as a mass analyzer enabled measurement of the isotopic fine structure (IFS) for numerous metabolites simultaneously from single cells, and the IFSs were in turn computationally processed to rapidly determine the corresponding elemental compositions. This metabolomics technique complements other single cell omics measurement methods, helping to resolve complex molecular interactions that take place within cells unattainable from single cell transcriptomic and proteomics methods.

mass spectrometry, FTICR, FTMS, ultrahigh mass res↗
DOE OSTI2023

A combination interferometric and morphological image processing approach to rapid quality assessment of additively manufactured cellular truss core components

Advanced manufacturing (AM) processes such as laser powder bed fusion (LPBF) are increasingly capable of fabricating components with useful and unprecedented mechanical properties by incorporating complex internal bracing structures. From the standpoint of quality control and assessment, however, internally complex assemblies present significant build-verification challenges. Here we propose a hybrid approach to the inspection involving the application of computer-aided speckle interferometry (CASI) and morphological image processing as a rapid, inexpensive, and facile method for AM quality control. The described methodology has low capital equipment costs, is full-field and non-contact, can be used in an industrial setting, and has very low requirements in terms of operator training and expertise. Consisting primarily of the combination of image processing software with a simple optical system of variable sensitivity, the method is shown to be effective for inspection of a titanium honeycomb component subjected to differential pressure. Results are compared to those achieved with computed tomography (CT), immersion ultrasound testing (UT), and optical holographic interferometry. Here we propose several possible processing strategies for automated quality assessment based on this powerful hybrid approach.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improved high-throughput screening technique to rapidly isolate Chlamydomonas transformants expressing recombinant proteins

Abstract The single-celled eukaryotic green alga Chlamydomonas reinhardtii has long been a model system for developing genetic tools for algae, and is also considered a potential platform for the production of high-value recombinant proteins. Identifying transformants with high levels of recombinant protein expression has been a challenge in this organism, as random integration of transgenes into the nuclear genome leads to low frequency of cell lines with high gene expression. Here, we describe the design of an optimized vector for the expression of recombinant proteins in Chlamydomonas , that when transformed and screened using a dual antibiotic selection, followed by screening using fluorescence activated cell sorting (FACS), permits rapid identification and isolation of microalgal transformants with high expression of a recombinant protein. This process greatly reduces the time required for the screening process, and can produce large populations of recombinant algae transformants with between 60 and 100% of cells producing the recombinant protein of interest, in as little as 3 weeks, that can then be used for whole population sequencing or individual clone analysis. Utilizing this new vector and high-throughput screening (HTS) process resulted in an order of magnitude improvement over existing methods, which normally produced under 1% of algae transformants expressing the protein of interest. This process can be applied to other algal strains and recombinant proteins to enhance screening efficiency, thereby speeding up the discovery and development of algal-derived recombinant protein products. Key points • A protein expression vector using double-antibiotic resistance genes was designed • Double antibiotic selection causes fewer colonies with more positive for phenotype • Coupling the new vector with FACS improves microalgal screening efficiency > 60%

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Dynamic changes in evapotranspiration, canopy photosynthesis and expansive growth in open field under rapid fluctuating radiation

Abstract In open fields, plants experience dynamic changes in environment, particularly radiation, temperature, wind, and humidity but their short-term responses have not been adequately characterized under natural conditions. In this study, we assessed causal effects of rapid radiation fluctuation on seven plant parameters in open fields of cotton and sweet corn canopies. The parameters are evapotranspiration ( ET ), canopy photosynthesis indicated by CO2 flux from air to canopy ( FCO2 ), sensible heat energy flux ( H ), canopy conductance for water vapor ( gcw ), canopy surface temperature ( Ts ), shoot and leaf elongation rate, and stem diameter change. The energy and CO2 fluxes were measured with Bowen ratio/energy balance/CO2 gradient (BREB+) technique, using averaging time of 5 min. Shoot + leaf elongation and stem diameter change were monitored with position transducers using averaging time of 1 min. All parameters were all found to respond to change in radiation and transpiration within minutes or sooner. While radiation effects on canopy gas exchanges are expected, illuminating are the indirect but immediate effects on shoot + leaf growth and stem diameter change through radiation effects on transpiration and plant water status. A novel finding is that gcw also responded within minutes or sooner to radiation fluctuations and that FCO2 was related almost linearly to gcw . Results are discussed in terms of soil-plant-atmosphere continuum, and interpreted in terms of dynamic interactions between transpiration and plant water status. The clear inverse relationship between ET and elongation rate or stem diameter changes provides additional evidence supporting the validity of 5-min averaging for the BREB + technique.

Hsiao, Theodore C.↗
DOE OSTI2024

Rapid recovery of invasive wild pig (Sus scrofa) populations following density reduction

Abstract Trapping is an effective strategy for control of invasive wild pig (Sus scrofa), but eradication of populations via trapping alone typically is impractical throughout much of the species’ introduced range. Consequently, recovery of wild pig populations to pre-trapping levels following control is a major impediment to success of long-term control. In this study, we conducted camera-trap surveys to monitor recovery of two wild pig populations immediately following density reductions achieved via trapping on two sites on the Savannah River Site, SC. We used spatial capture-recapture models to estimate wild pig density during seven 3 week periods spanning 12 months to: (1) determine the time required for populations to recover to pre-trapping levels; and (2) evaluate trends in population growth, density, and distribution during recovery. Recovery of both wild pig populations started immediately after trapping ceased, with populations reaching pre-trapping levels in 3 and 5 months. Threeweek population growth rates for each wild pig population during recovery averaged 1.28 (range = 1.11–1.39 on site 1) and 1.24 (range = 0.64–1.92 on site 2), which corresponded to a 345% and 132% increase in abundance (an increase of 141 and 126 individual wild pigs on site 1 and 2, respectively) of each population by the last survey period. Rapid recovery and growth beyond pre-trapping levels of wild pig populations likely were driven by residual wild pigs not removed by trapping and compensatory reproduction and immigration. Our study is one of the first to provide information on how quickly wild pig populations can recover following overall density reductions of 54–68% and indicates practitioners should be prepared to reinitiate trapping efforts in as little as 3 months to prevent recovery of wild pig populations following control.

Biodiversity & Conservation↗
DOE OSTI2023

Rapid denitrification of nitrate-contaminated groundwater in a low-gradient blackwater stream valley

Leaching of excess nitrogen (N) to groundwater in fertilized landscapes can overwhelm natural biogeochemical processes and cause long-term eutrophication of aquatic systems. We investigated N fate and transport from an intensively managed short-rotation woody crop (Pinus taeda) plantation through the riparian zone of an intermittent, low-gradient blackwater stream. Fertilization of the P. taeda plantation on the uplands resulted in contamination of groundwater with nitrate concentrations between 0.9 and 1.9 mg N L -1 . No corresponding increase in nitrate was observed in stream water or shallow groundwater in the riparian zone. Groundwater travel-time modeling predicted that N from near-stream, upland plantation areas should have reached streams during the monitoring period. Two years of measuring N species in well water in contrasting landscape positions (within the plantation, swale, riparian edge, forested hillslope, and valley), indicated rapid nitrate transformation and denitrification within the forested wetland valleys. Denitrification in the shallow groundwater system within the toeslopes and the riparian zone was estimated to have removed > 90% of nitrate. Finally, these results highlight the importance of riparian zones as pathways for the removal of N and for controlling downstream N loads.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

An improved method for uranium separation from urine for rapid bioassay by inductively coupled plasma mass spectrometry

Bioassay monitoring is an important capability for any facility that works with significant amounts of radioactive material. The speed at which these analyses can be made is critical in the event of a potential exposure. Here, we present a new method that facilitates the rapid separation of uranium from a urine matrix for assay and isotopic determination by inductively coupled plasma mass spectrometry. This method is validated with archived urine samples that were previously analyzed using established, more time consuming methods. The sources of uncertainty for uranium assay and isotopic measurements are modelled using the Monte Carlo method to better understand the precision and accuracy of this method at the limit of quantification.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Method for Rapid Modeling of Distortion in Laser Powder Bed Fusion Metal Additive Manufacturing Parts

The simulation and modeling of part-level distortion and residual stress in diverse metal additive manufacturing (AM) geometries has great potential to enable the rapid adoption of this technology in engineering design. Moreover, the use of additive manufacturing component libraries (CLs) offer a computationally efficient means of quantifying these part-level defects resultant from AM processing. We report on how the individual simulations of simple shapes, potential entries in a CL, can be superimposed to provide an indication of distortion and residual stresses in complex geometries. Laser powder bed fusion AM was used to construct test geometries of varied shapes and their combinations in the form of CLs in an effort to characterize location-dependent and feature-dependent distortion distributions. Blue light scanning was used to experimentally measure 3D distortions in order to investigate the interaction between the component shapes and local boundary conditions. Overall, part-level distortions were highly dependent on test component geometry, local boundary conditions, and shape combination. Commercial finite element software was used to verify experimental trends and to make predictions of distortion. The use of CLs resulted in over 20 times savings in computational cost while reproducing overall trends in distortion for test geometry assemblies. Therefore, it is anticipated that the use of CLs for L-PBF AM geometries has demonstrated potential to facilitate efficient simulations of full component AM assemblies, thereby reducing the need for costly trial-and-error-type experimental analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mesoscopic Modeling and Rapid Simulation of Incremental Changes in Epidemic Scenarios on GPUs

In simulation-based studies and analyses of epidemics, a major challenge lies in resolving the conflict between fidelity of models and the speed of their simulation. Another related challenge arises in dealing with the large number of what–if scenarios that need to be explored. Here, we describe new computational methods that together provide an approach to dealing with both challenges. A mesoscopic modeling approach is described that strikes a middle ground between macroscopic models based on coupled differential equations and microscopic models built on fine-grained behaviors at the individual entity level. The mesoscopic approach offers the ability to incorporate complex compositions of multiple layers of dynamics even while retaining the potential for aggregate behaviors at varying levels. It also is an excellent match to the accelerator-based architectures of modern computing platforms in which graphical processing units (GPUs) can be exploited for fast simulation via the parallel execution mode of single instruction multiple thread (SIMT). The challenge of simulating a large number of scenarios is addressed via a method of sharing model state and computation across a tree of what–if scenarios that are localized, incremental changes to a large base simulation. A combination of the mesoscopic modeling approach and the incremental what–if scenario tree evaluation has been implemented in the software on modern GPUs. Synthetic simulation scenarios are presented to demonstrate the computational characteristics of our approach. Results from the experiments with large population data, including USA, UK, and India, illustrate the modeling methodology and computational performance on thousands of synthetically generated what–if scenarios. Execution of our implementation scaled to 8192 GPUs of supercomputing platforms demonstrates the ability to rapidly evaluate what–if scenarios several orders of magnitude faster than the conventional methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Rapid quantification of alcohol production in microorganisms based on nanostructure-initiator mass spectrometry (NIMS)

We described a mass spectrometry-based assay to rapidly quantify the production of primary alcohols directly from cell cultures. This novel assay used the combination of TEMPO-based oxidation chemistry and oxime ligation, followed by product analysis based on Nanostructure-Initiator Mass Spectrometry. This assay enables quantitative monitor both C5 to C18 alcohols as well as glucose and gluconate in the growth medium to support strain characterization and optimization. We find that this assay yields similar results to gas chromatography for isoprenol production but required much less acquisition time per sample. We applied this assay to gain new insights into P. Putida's utilization of alcohols and find that this strain largely could not grow on heptanol and octanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Rapid preparation of nanodiscs for biophysical studies

Nanodiscs, which are disc-shaped entities that contain a central lipid bilayer encased by an annulus of amphipathic helices, have emerged as a leading native-like membrane mimic. The current approach for the formation of nanodiscs involves the creation of a mixed-micellar solution containing membrane scaffold protein, lipid, and detergent followed by a time consuming process (3–12 h) of dialysis and/or incubation with sorptive beads to remove the detergent molecules from the sample. In contrast, the methodology described herein provides a facile and rapid procedure for the preparation of nanodiscs in a matter of minutes (<15 min) using Sephadex® G-25 resin to remove the detergent from the sample. A panoply of biophysical techniques including analytical ultracentrifugation, dynamic light scattering, gel filtration chromatography, circular dichroism spectroscopy, and cryogenic electron microscopy were employed to unequivocally confirm that aggregates formed by this method are indeed nanodiscs. We believe that this method will be attractive for time-sensitive and high-throughput experiments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Rapid Annotation of Photosynthetic Systems (RAPS): automated algorithm to generate genome-scale metabolic networks from algal genomes

Algae have mounting potential to serve as platform strains for engineering efforts, but tools for these species lag behind traditional model systems like E. coli and yeast. Metabolic models are one such tool that would enhance our ability to rationally engineer algae but current automated algorithms to build models do not perform well for algal genomes. We introduce a novel software pipeline, Rapid Annotation of Photosynthetic Systems (RAPS), which leverages manual curation efforts of published models to create high quality first draft metabolic networks for new species. We compared models produced by our pipeline to published models and found that these models are able to capture more genes than the published models and are more predictive of experimentally determined growth rate. We used RAPS to automate the creation of 8 first draft metabolic models of new species to enable the further study of metabolism in these species.

09 BIOMASS FUELS↗
DOE OSTI2020

Razorback – A reactor transient analysis code for large rapid reactivity additions in a natural circulation research reactor

Research reactors play an important role in higher education, scientific research, and medical radioisotope production around the world. It is thus important to ensure the safety of facility workers and the public. This work presents a new reactor transient analysis code referred to as Razorback. The code has been developed for the evaluation of large rapid reactivity addition in research reactors. Its initial focus is the Annular Core Research Reactor (ACRR) at Sandia National Laboratories. Results have been validated against ACRR pulse operations. Razorback models the reactor kinetics, fuel element heat transfer, fuel element thermal expansion, and natural circulation coolant channel thermal-hydraulic response. Simulation results for ACRR pulse operations are shown to agree very well with operational data obtained from the ACRR. Finally, Razorback is expected to be a valuable tool for ACRR pulse performance prediction and ACRR reactor safety analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Automatic and rapid calibration of urban building energy models by learning from energy performance database

Urban building energy modeling (UBEM) is attracting increasing attention in the energy modeling filed. Unlike modeling a single building using detailed building systems information, UBEM generally uses limited high-level building stock data to infer default assumptions about building characteristics and operations. Additionally, this practice inherently brings uncertainty to UBEM. This study introduced a novel method of automatic and rapid calibration of UBEM based on the annual electricity and natural gas energy use data by learning the correlations between crucial model input parameters and the building energy use from the reference building models. A case study was presented to calibrate 72 large office buildings built before 1978 in San Francisco. Seventeen model parameters were selected and Monte Carlo sampling was used to create 1000 samples that reasonably represent the parameter space. Then 1000 simulations were performed for the reference building model to create an energy performance database. The results showed that by learning from the energy performance database, it took less than four simulation runs on average to calibrate a building model. After the calibration, the distributions of each parameter were obtained to replace their single predefined default values. For example, the default lighting power density of 21.39 W/m 2 was calibrated to be 7.50 W/m 2 on average. The case study successfully demonstrated the effectiveness of the novel calibration method for UBEM in the mild climate. The method will be further tested in future for other climate zones and other building types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗